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Results 1 - 10 of 17  for Great Falls College MSU

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Applicability domain for classification problems

Sushko, Iurii ; Novotarskyi, S ; Pandey, Ak ; Körner, R ; Tetko, Igor

Journal of Cheminformatics, 2010, Vol.2(Suppl 1), p.P41-P41 [Peer Reviewed Journal]

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ToxAlerts: a Web server of structural alerts for toxic chemicals and compounds with potential adverse reactions

Sushko, Iurii ; Salmina, Elena ; Potemkin, Vladimir A ; Poda, Gennadiy ; Tetko, Igor V

Journal of chemical information and modeling, 27 August 2012, Vol.52(8), pp.2310-6 [Peer Reviewed Journal]

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Chemogenomic approach to increase accuracy of QSAR modeling of inhibition activity against five major P450 isoforms
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Chemogenomic approach to increase accuracy of QSAR modeling of inhibition activity against five major P450 isoforms

Novotarskyi, Sergii ; Sushko, Iurii ; Koerner, Robert ; Tetko, Igor V

Journal of Cheminformatics, 3/2013, Vol.5(S1) [Peer Reviewed Journal]

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Classification of CYP450 1A2 inhibitors using PubChem data

Novotarskyi, Sergii ; Sushko, Iurii ; Körner, R ; Pandey, AK ; Tetko, Igor

Journal of Cheminformatics, 2010, Vol.2(Supplement 1), pp.1-1 [Peer Reviewed Journal]

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In silico p K a prediction

Körner, Robert ; Sushko, Iurii ; Novotarskyi, Sergii ; Tetko, Igor V

Journal of Cheminformatics, 2012, Vol.4(Suppl 1), p.P55-P55 [Peer Reviewed Journal]

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A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition

Novotarskyi, Sergii ; Sushko, Iurii ; Körner, Robert ; Pandey, Anil Kumar ; Tetko, Igor V

Journal of chemical information and modeling, 27 June 2011, Vol.51(6), pp.1271-80 [Peer Reviewed Journal]

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Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

Sushko, Iurii ; Novotarskyi, Sergii ; Körner, Robert ; Pandey, Anil ; Rupp, Matthias ; Teetz, Wolfram ; Brandmaier, Stefan ; Abdelaziz, Ahmed ; Prokopenko, Volodymyr ; Tanchuk, Vsevolod ; Todeschini, Roberto ; Varnek, Alexandre ; Marcou, Gilles ; Ertl, Peter ; Potemkin, Vladimir ; Grishina, Maria ; Gasteiger, Johann ; Schwab, Christof ; Baskin, Igor ; Palyulin, Vladimir ; Radchenko, Eugene ; Welsh, William ; Kholodovych, Vladyslav ; Chekmarev, Dmitriy ; Cherkasov, Artem ; Aires-de-Sousa, Joao ; Zhang, Qing-You ; Bender, Andreas ; Nigsch, Florian ; Patiny, Luc ; Williams, Antony ; Tkachenko, Valery ; Tetko, Igor

Journal of Computer-Aided Molecular Design, 2011, Vol.25(6), pp.533-554 [Peer Reviewed Journal]

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Applicability domain for in silico models to achieve accuracy of experimental measurements

Sushko, Iurii ; Novotarskyi, Sergii ; Körner, Robert ; Pandey, Anil ; Kovalishyn, Vasily ; Prokopenko, Volodymyr ; Tetko, Igor

Journal of Chemometrics, Mar/Apr 2010, Vol.24(3/4), p.202 [Peer Reviewed Journal]

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Development of dimethyl sulfoxide solubility models using 163,000 molecules: using a domain applicability metric to select more reliable predictions

Tetko, Igor V ; Novotarskyi, Sergii ; Sushko, Iurii ; Ivanov, Vladimir ; Petrenko, Alexander E ; Dieden, Reiner ; Lebon, Florence ; Mathieu, Benoit

Journal of chemical information and modeling, 26 August 2013, Vol.53(8), pp.1990-2000 [Peer Reviewed Journal]

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QSAR modeling for In vitro assays: linking ToxCast™ database to the integrated modeling framework “OCHEM”

Abdelaziz Ahmed ; Sushko Iurii ; Teetz Wolfram ; Körner Robert ; Novotarskyi Sergii ; Tetko Igor V

Journal of Cheminformatics, 01 May 2012, Vol.4(Suppl 1), p.P62 [Peer Reviewed Journal]

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